2-(5-benzylsulfonyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyphenyl)ethanone

C18H16N2O4S2 — CID 58302561

IUPAC2-(5-benzylsulfonyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1C(=O)Cc1nnc(S(=O)(=O)Cc2ccccc2)s1
InChIInChI=1S/C18H16N2O4S2/c1-24-16-10-6-5-9-14(16)15(21)11-17-19-20-18(25-17)26(22,23)12-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeySOMWRCRYQQBEPP-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.95
Rot. Bonds7

About 2-(5-benzylsulfonyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyphenyl)ethanone

2-(5-benzylsulfonyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyphenyl)ethanone (PubChem CID 58302561) has the molecular formula C18H16N2O4S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-(5-benzylsulfonyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(5-benzylsulfonyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyphenyl)ethanone
PubChem CID58302561
Molecular FormulaC18H16N2O4S2
Molecular Weight388.47 g/mol
Exact Mass388.06
IUPAC Name2-(5-benzylsulfonyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1C(=O)Cc1nnc(S(=O)(=O)Cc2ccccc2)s1
InChIInChI=1S/C18H16N2O4S2/c1-24-16-10-6-5-9-14(16)15(21)11-17-19-20-18(25-17)26(22,23)12-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeySOMWRCRYQQBEPP-UHFFFAOYSA-N
XLogP2.95
TPSA86.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(5-benzylsulfonyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-benzylsulfonyl-1,3,4-thiadiazol-2-yl)-1-[2-(1,3-oxazol-4-yl)phenyl]ethanone
CID 58302683
2-[4-[2-(2-methoxyphenyl)-2-oxoethyl]phenyl]acetic acid
CID 158147821
1-(2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 55023762
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
5-benzylsulfonyl-2-methoxybenzoic acid
CID 23202792
2-[2-(2-methoxyphenyl)acetyl]benzoic acid
CID 83743438
2-benzylsulfanyl-1-(2-methoxyphenyl)ethanone
CID 43218473
N-benzyl-4-[[5-[5-(2-hydroxyethyl)-2-methoxyphenoxy]-1,3,4-thiadiazol-2-yl]sulfonylmethyl]benzamide
CID 11214832
3-(2-methoxyphenyl)-3-oxopropane-1-sulfonic acid
CID 94688299
2-fluoro-1-(2-methoxyphenyl)ethanone
CID 11816076
2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone
CID 14284964
2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanone
CID 15228893

Frequently Asked Questions

What is the IUPAC name of 2-(5-benzylsulfonyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyphenyl)ethanone?
The IUPAC name of 2-(5-benzylsulfonyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyphenyl)ethanone (CID 58302561) is 2-(5-benzylsulfonyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(5-benzylsulfonyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyphenyl)ethanone?
The canonical SMILES for 2-(5-benzylsulfonyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyphenyl)ethanone is COc1ccccc1C(=O)Cc1nnc(S(=O)(=O)Cc2ccccc2)s1.
What is the InChIKey of 2-(5-benzylsulfonyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyphenyl)ethanone?
The InChIKey is SOMWRCRYQQBEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S2/c1-24-16-10-6-5-9-14(16)15(21)11-17-19-20-18(25-17)26(22,23)12-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3.
What are the key properties of 2-(5-benzylsulfonyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyphenyl)ethanone?
2-(5-benzylsulfonyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyphenyl)ethanone has a molecular weight of 388.47 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzylsulfonyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 58302561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).